4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol

C20H18N2O3 — CID 4079078

IUPAC4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H18N2O3/c23-18-12-11-16(19(24)20(18)25)13-21-22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,23-25H,14H2
InChIKeyCUQSMROVLCUQPQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.84
Rot. Bonds5

About 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol

4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (PubChem CID 4079078) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
PubChem CID4079078
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O
InChIInChI=1S/C20H18N2O3/c23-18-12-11-16(19(24)20(18)25)13-21-22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,23-25H,14H2
InChIKeyCUQSMROVLCUQPQ-UHFFFAOYSA-N
XLogP3.84
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol (CID 4079078) is 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is Oc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O.
What is the InChIKey of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The InChIKey is CUQSMROVLCUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-18-12-11-16(19(24)20(18)25)13-21-22(17-9-5-2-6-10-17)14-15-7-3-1-4-8-15/h1-13,23-25H,14H2.
What are the key properties of 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol?
4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol has a molecular weight of 334.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 4079078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).